* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    242     458
    1     0 S   NP   _N1_     1    28.61849    91.54990   -23.54256
    2     1 S   H    _HN1     2     1.02944   103.80733   -20.41189
    3     1 S   H    _H1_     3     1.02856    23.08021    81.12873
    4     1 S   H    _H2_     4     1.02796    87.79467  -128.62879
    5     1 S   CT   _CA1     5     1.50082   131.03780   113.61788
    6     5 S   HC   _HA1     6     1.09583   105.26533    46.66480
    7     5 S   CO3  _C1_     7     1.53874   112.02990   -73.43150
    8     7 S   O2Z  _O11     8     1.26407   115.22249   -55.15827
    9     7 S   O2Z  _O12     9     1.26212   114.87202   123.94301
   10     5 S   CT   _CB1    10     1.53095   107.40741   164.30498
   11    10 S   HC   HB11    11     1.09828   109.62367   -51.51595
   12    10 S   HC   HB12    12     1.09736   110.22234    64.82748
   13    10 S   CT   _CG1    13     1.53044   112.51365  -172.42358
   14    13 S   HC   HG11    14     1.09614   110.57716   -58.69691
   15    13 S   HC   HG12    15     1.09638   109.85763    60.44087
   16    13 S   C    _CD1    16     1.51812   112.35416  -178.65623
   17    16 S   O    _OE1    17     1.22762   123.29739     3.74094
   18    16 S   N    _N2_    18     1.38557   111.78842  -177.19886
   19    18 S   H    _HN2    19     1.01553   119.26858     5.47300
   20    18 S   CT1  _CA2    20     1.45755   122.72598  -177.47578
   21    20 S   HC   _HA2    21     1.09579   108.28552    28.17911
   22    20 S   C    _C2_    22     1.52934   107.61135   -88.50043
   23    22 S   O    _O2_    23     1.22958   123.11742   -25.24232
   24    20 S   CT   _CB2    32     1.53415   112.49855   151.28304
   25    24 S   HC   HB21    33     1.09662   109.64041    65.83440
   26    24 S   HC   HB22    34     1.09564   111.09045  -176.79210
   27    22 S   N    _N3_    24     1.38505   112.45844   157.43120
   28    27 S   H    _HN3    25     1.01650   120.36078    -2.35966
   29    24 S   S    _SG2    35     1.82555   113.93971   -53.33137
   30    27 S   CT   _CA3    26     1.45354   122.53473   178.60100
   31    30 S   HC   HA31    27     1.09565   107.83676   -55.33400
   32    30 S   HC   HA32    28     1.09559   107.60553    61.02843
   33    29 S   CT   _C19    36     1.82316   100.19599   -71.72245
   34    33 S   HC   _H3_    37     1.09446   107.63729   -83.22569
   35    33 S   HC   _H4_    38     1.09165   111.05637    33.31463
   36    30 S   CO3  _C3_    29     1.52900   114.25332  -177.25619
   37    36 S   O2Z  _O31    30     1.26346   116.02979    -0.41590
   38    36 S   O2Z  _O32    31     1.26426   114.42854   179.55281
   39    33 S   CM   _C4_    39     1.50190   109.70301   154.76718
   40    39 S   CMA  _C5_    40     1.34926   127.56444   108.73157
   41    40 S   OM   _O18    41     1.26281   128.12719     1.32810
   42    40 S   OS   _O21    42     1.41932   109.45375  -179.26965
   43    42 S   CT   _C14    43     1.44559   106.31507    16.30592
   44    43 S   HC   _H35    44     1.10206   105.36237    86.11398
   45    39 S   CT   _C12    45     1.50390   120.93947   -72.45524
   46    45 S   HC   _H33    46     1.09644   110.03232    49.28896
   47    43 S   CT   _C15    64     1.54923   110.22663  -157.07256
   48    45 S   CT   _C10    47     1.53438   111.99392   -72.28405
   49    48 S   HC   _H29    48     1.09748   108.73071    45.95649
   50    48 S   HC   _H30    49     1.09315   112.01622   -69.81897
   51    47 S   CT   _C18    65     1.54038   112.87452    27.31800
   52    51 S   HC   _H39    66     1.09103   112.40911    51.89586
   53    51 S   HC   _H40    67     1.09753   111.30124   -67.33032
   54    51 S   HC   _H41    68     1.09449   112.29277   174.39926
   55    48 S   CT   _C11    50     1.52968   113.16294   163.18417
   56    55 S   HC   _H31    51     1.09747   108.03486  -160.01596
   57    55 S   HC   _H32    52     1.09615   108.56351   -46.81122
   58    55 S   CT   _C13    53     1.54433   116.81193    76.61969
   59    58 S   HC   _H34    54     1.10158   103.60043  -169.15333
   60    58 S   CT   _C16    55     1.55125   112.88923   -54.98806
   61    58 S   CT   _C20    71     1.53920   110.90561    78.71405
   62    61 S   HC   _H44    72     1.09165   111.76914   -53.15115
   63    61 S   HC   _H45    73     1.09293   111.38624  -176.27007
   64    60 S   CT   _C9_    56     1.53962   113.24458  -169.97985
   65    64 S   HC   _H27    57     1.09547   112.59890    67.48645
   66    64 S   HC   _H28    58     1.09380   112.51194   -54.75297
   67    60 S   OH   _O22    69     1.44621   106.65941   -54.36500
   68    67 S   HO   _H46    70     0.97635   108.34521   -56.04130
   69    61 S   OS   _O23    74     1.44407   108.60263    65.49584
   70    64 S   CT   _C8_    59     1.52363   104.32881  -173.03860
   71    70 S   HC   _H25    60     1.09376   111.66665   -86.08611
   72    70 S   HC   _H26    61     1.09228   111.67684   149.46157
   73    69 S   CO4  _C7_    75     1.36265   115.65982  -179.06770
   74    73 S   O    _O20    76     1.22330   126.24465    -0.38866
   75    70 S   CO4  _C6_    62     1.50798   102.41520    30.49589
   76    75 S   O    _O19    63     1.22655   122.41719   171.07800
   77    73 S   CT   _C17    77     1.49829   109.58273   179.64282
   78    77 S   HC   _H36    78     1.09292   109.82814   -60.71231
   79    77 S   HC   _H37    79     1.09379   109.36123  -179.74131
   80    77 S   HC   _H38    80     1.09288   109.83219    61.19437
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  12   5  20   9
   5   4  10   4   3   2  11   5   4  14   7  14   8   3   2   9
   6   5   3   1   6   4   3   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    55    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    60    75    47    51  
   44    45    46    48    49    50    55    58    60    64    70    75    76    47    51    52    53    54    67  
   45    46    48    60    75    47    51  
   46    48    49    50    55    56    57    58    60    75    47    51  
   48    49    50    55    47  
   51    52    53    54    67    68    61    48    55    58    59    60    64    65    66    70    71    72    75    76  
   49    50    55    56    57    58    59    60    61  
   50    55    56    57    58  
   55    56    57    58  
   52    53    54    67    58    60    64    70    75    76  
   53    54    60    75  
   54    60    75  
   60    75  
   56    57    58    59    60    64    67    61    62    63    69  
   57    58    59    60    61  
   58    59    60    61  
   59    60    64    65    66    70    75    67    68    61    62    63    69    73  
   60    64    67    61    62    63    69  
   64    65    66    70    71    72    75    76    67    68    61    62    63    69  
   62    63    69    73    74    77    64    67  
   63    69    73  
   69    73  
   65    66    70    71    72    75    76    67    68  
   66    70    71    72    75    67  
   70    71    72    75    67  
   68    70    75  
    0  
   73    74    77    78    79    80  
   71    72    75    76  
   72    75    76  
   75    76  
   74    77    78    79    80  
   77    78    79    80  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    61   268.000  1.529
   60    64   268.000  1.529
   60    47   268.000  1.529
   60    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   317.000  1.522
   75    76   570.000  1.229
   75    47   317.000  1.522
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   67    68   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   320.000  1.410
   69    73   214.000  1.327
   73    74   570.000  1.229
   73    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    60    58.35000  112.70000
   43    47    75    63.00000  111.10000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    55    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    64    58.35000  112.70000
   58    60    47    58.35000  112.70000
   58    60    67    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    69    50.00000  109.50000
   60    58    59    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    70    58.35000  112.70000
   60    47    75    63.00000  111.10000
   60    47    51    58.35000  112.70000
   60    67    68    55.00000  108.50000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    63.00000  111.10000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    75    76    80.00000  120.40000
   70    75    47    70.00000  116.00000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   75    47    51    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    60    64    58.35000  112.70000
   47    75    76    80.00000  120.40000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   67    60    64    50.00000  109.50000
   67    60    47    50.00000  109.50000
   61    58    59    37.50000  110.70000
   61    58    60    58.35000  112.70000
   61    69    73    83.00000  116.90000
   63    61    62    33.00000  107.80000
   69    61    62    35.00000  109.50000
   69    61    63    35.00000  109.50000
   69    73    74    83.00000  123.40000
   69    73    77    81.00000  111.40000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   77    73    74    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    55   0.34400  1.0 1.0
   39    45    48    55   0.09450 -1.0 2.0
   39    45    48    55   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    60   0.62750  1.0 1.0
   42    43    47    60  -0.30950 -1.0 2.0
   42    43    47    60   0.27300  1.0 3.0
   42    43    47    75  -0.09450  1.0 1.0
   42    43    47    75  -1.12950 -1.0 2.0
   42    43    47    75   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    55   0.56750  1.0 1.0
   43    45    48    55  -0.07550 -1.0 2.0
   43    45    48    55   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    47    75  -0.11250  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    60   0.56750  1.0 1.0
   45    43    47    60  -0.07550 -1.0 2.0
   45    43    47    60   0.20000  1.0 3.0
   45    43    47    75  -0.95700  1.0 1.0
   45    43    47    75  -0.18200 -1.0 2.0
   45    43    47    75   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    58   0.56750  1.0 1.0
   45    48    55    58  -0.07550 -1.0 2.0
   45    48    55    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.56750  1.0 1.0
   48    55    58    60  -0.07550 -1.0 2.0
   48    55    58    60   0.20000  1.0 3.0
   48    55    58    61   0.56750  1.0 1.0
   48    55    58    61  -0.07550 -1.0 2.0
   48    55    58    61   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    58   0.15000  1.0 3.0
   55    58    60    64   0.56750  1.0 1.0
   55    58    60    64  -0.07550 -1.0 2.0
   55    58    60    64   0.20000  1.0 3.0
   55    58    60    47   0.56750  1.0 1.0
   55    58    60    47  -0.07550 -1.0 2.0
   55    58    60    47   0.20000  1.0 3.0
   55    58    60    67   0.86500  1.0 1.0
   55    58    60    67  -0.17500 -1.0 2.0
   55    58    60    67   0.20800  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.15000  1.0 3.0
   55    58    61    69   0.62750  1.0 1.0
   55    58    61    69  -0.30950 -1.0 2.0
   55    58    61    69   0.27300  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    66   0.15000  1.0 3.0
   58    60    64    70   0.56750  1.0 1.0
   58    60    64    70  -0.07550 -1.0 2.0
   58    60    64    70   0.20000  1.0 3.0
   58    60    47    43   0.56750  1.0 1.0
   58    60    47    43  -0.07550 -1.0 2.0
   58    60    47    43   0.20000  1.0 3.0
   58    60    47    75  -0.95700  1.0 1.0
   58    60    47    75  -0.18200 -1.0 2.0
   58    60    47    75   0.29450  1.0 3.0
   58    60    47    51   0.56750  1.0 1.0
   58    60    47    51  -0.07550 -1.0 2.0
   58    60    47    51   0.20000  1.0 3.0
   58    60    67    68  -0.11600  1.0 1.0
   58    60    67    68  -0.09450 -1.0 2.0
   58    60    67    68   0.21250  1.0 3.0
   58    61    69    73  -0.25900  1.0 1.0
   58    61    69    73  -0.47000 -1.0 2.0
   58    61    69    73   0.11750  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    47   0.15000  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    69   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    69   0.62750  1.0 1.0
   60    58    61    69  -0.30950 -1.0 2.0
   60    58    61    69   0.27300  1.0 3.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    72   0.15000  1.0 3.0
   60    64   -70    75  -0.95700  1.0 1.0
   60    64   -70    75  -0.18200 -1.0 2.0
   60    64   -70    75   0.29450  1.0 3.0
   60    47    51    52   0.15000  1.0 3.0
   60    47    51    53   0.15000  1.0 3.0
   60    47    51    54   0.15000  1.0 3.0
   64    60    47    43   0.56750  1.0 1.0
   64    60    47    43  -0.07550 -1.0 2.0
   64    60    47    43   0.20000  1.0 3.0
   64    60   -47    75  -0.95700  1.0 1.0
   64    60   -47    75  -0.18200 -1.0 2.0
   64    60   -47    75   0.29450  1.0 3.0
   64    60    47    51   0.56750  1.0 1.0
   64    60    47    51  -0.07550 -1.0 2.0
   64    60    47    51   0.20000  1.0 3.0
   64    60    67    68  -0.11600  1.0 1.0
   64    60    67    68  -0.09450 -1.0 2.0
   64    60    67    68   0.21250  1.0 3.0
   64    70    75    76   0.30150 -1.0 2.0
   64    70   -75    47   0.60050  1.0 1.0
   64    70   -75    47   0.05600 -1.0 2.0
   64    70   -75    47   0.26150  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    75  -0.11250  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    75  -0.11250  1.0 3.0
   70    75    47    43   0.60050  1.0 1.0
   70    75    47    43   0.05600 -1.0 2.0
   70    75    47    43   0.26150  1.0 3.0
   70    75   -47    60   0.60050  1.0 1.0
   70    75   -47    60   0.05600 -1.0 2.0
   70    75   -47    60   0.26150  1.0 3.0
   70    75    47    51   0.60050  1.0 1.0
   70    75    47    51   0.05600 -1.0 2.0
   70    75    47    51   0.26150  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    47   0.00000  1.0 1.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    47   0.00000  1.0 1.0
   75    47    51    52  -0.11250  1.0 3.0
   75    47    51    53  -0.11250  1.0 3.0
   75    47    51    54  -0.11250  1.0 3.0
   76    75    47    43   0.30150 -1.0 2.0
   76    75    47    60   0.30150 -1.0 2.0
   76    75    47    51   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    60    64    65   0.15000  1.0 3.0
   47    60    64    66   0.15000  1.0 3.0
   47    60   -64    70   0.56750  1.0 1.0
   47    60   -64    70  -0.07550 -1.0 2.0
   47    60   -64    70   0.20000  1.0 3.0
   47    60    67    68  -0.11600  1.0 1.0
   47    60    67    68  -0.09450 -1.0 2.0
   47    60    67    68   0.21250  1.0 3.0
   67    60    64    65   0.23400  1.0 3.0
   67    60    64    66   0.23400  1.0 3.0
   67    60    64    70   0.86500  1.0 1.0
   67    60    64    70  -0.17500 -1.0 2.0
   67    60    64    70   0.20800  1.0 3.0
   67    60    47    43   0.86500  1.0 1.0
   67    60    47    43  -0.17500 -1.0 2.0
   67    60    47    43   0.20800  1.0 3.0
   67    60    47    75  -0.09450  1.0 1.0
   67    60    47    75  -1.12950 -1.0 2.0
   67    60    47    75   0.54000  1.0 3.0
   67    60    47    51   0.86500  1.0 1.0
   67    60    47    51  -0.17500 -1.0 2.0
   67    60    47    51   0.20800  1.0 3.0
   61    58    60    64   0.56750  1.0 1.0
   61    58    60    64  -0.07550 -1.0 2.0
   61    58    60    64   0.20000  1.0 3.0
   61    58    60    47   0.56750  1.0 1.0
   61    58    60    47  -0.07550 -1.0 2.0
   61    58    60    47   0.20000  1.0 3.0
   61    58    60    67   0.86500  1.0 1.0
   61    58    60    67  -0.17500 -1.0 2.0
   61    58    60    67   0.20800  1.0 3.0
   61    69    73    74   3.00000 -1.0 2.0
   61    69    73    77   1.63150  1.0 1.0
   61    69    73    77   2.92000 -1.0 2.0
   62    61    69    73   0.08050  1.0 3.0
   63    61    69    73   0.08050  1.0 3.0
   69    73    77    78   0.00000  1.0 1.0
   69    73    77    79   0.00000  1.0 1.0
   69    73    77    80   0.00000  1.0 1.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   70    47    75    76  10.50000 -1.0 2.0
   69    77    73    74  10.50000 -1.0 2.0
END
